N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

C25H32ClN3O2 — CID 72703841

IUPACN-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C25H32ClN3O2/c1-25(2,3)28-24(31)19-11-13-29(14-12-19)17-18-7-6-9-21(15-18)27-23(30)16-20-8-4-5-10-22(20)26/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyRYJGOOFWXBVDKG-UHFFFAOYSA-N
MW442.00 g/mol
LogP4.65
Rot. Bonds6

About N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72703841) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID72703841
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC NameN-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C25H32ClN3O2/c1-25(2,3)28-24(31)19-11-13-29(14-12-19)17-18-7-6-9-21(15-18)27-23(30)16-20-8-4-5-10-22(20)26/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyRYJGOOFWXBVDKG-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.00
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 72703841) is N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccccc3Cl)c2)CC1.
What is the InChIKey of N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is RYJGOOFWXBVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-25(2,3)28-24(31)19-11-13-29(14-12-19)17-18-7-6-9-21(15-18)27-23(30)16-20-8-4-5-10-22(20)26/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 442.00 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72703841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).